SCHEMBL14563106

SCHEMBL14563106

CN(CCOCCOCCOCCC(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1)C(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 3/20 0.49
▸ CA12 O43570 3/20 0.49
▸ CA1 P00915 3/20 0.49
▸ CA2 P00918 3/20 0.49
▸ CA9 Q16790 3/20 0.49
▸ TDP1 Q9NUW8 4/20 0.48
▸ FOLH1 Q04609 4/20 0.47
▸ PTPRF P10586 2/20 0.47
▸ PTPN2 P17706 2/20 0.47
▸ PTPN1 P18031 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ IDE P14735 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ RIN1 Q13671 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ F2 P00734 1/20 0.46
▸ PRSS1 P07477 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14563129 0.88 F2 (0.45) PKMCA12CA1CA2CA9
SCHEMBL5903487 0.84 TDP1 (0.65) PKMCA12CA1CA2CA9
SCHEMBL20068708 0.84 TDP1 (0.65) PKMCA12CA1CA2CA9
SCHEMBL5903492 0.78 TDP1 (0.55) PKMCA12CA1CA2CA9
SCHEMBL14563108 0.77 TDP1 (0.50) PKMCA12CA1CA2CA9
SCHEMBL5903549 0.76 TDP1 (0.48) PKMCA12CA1CA2CA9
SCHEMBL28659111 0.76 CA12 (0.72) PKMCA12CA1CA2CA9
SCHEMBL29459191 0.76 CA12 (0.72) PKMCA12CA1CA2CA9
SCHEMBL18760076 0.76 FOLH1 (0.53) PKMTDP1FOLH1MEN1ABL1
SCHEMBL21361156 0.75 TDP1 (0.64) PKMCA12CA1CA2CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951499-B2 Trifunctional reagent for conjugation to a biomolecule UNIVERSITY OF WASHINGTON (US) 2015-02-10 — — US disclosed
US-8951499-B2 Trifunctional reagent for conjugation to a biomolecule UNIVERSITY OF WASHINGTON (US) 2015-02-10 — — US disclosed
US-20070071673-A1 Trifunctional reagent for conjugation to a biomolecule MITRA MEDICAL TECHNOLOGY AB (SE) 2007-03-29 — — US disclosed
US-20070071673-A1 Trifunctional reagent for conjugation to a biomolecule MITRA MEDICAL TECHNOLOGY AB (SE) 2007-03-29 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070071673-A1 Trifunctional reagent for conjugation to a biomolecule UACA, TNFSF11, CD40 PKM 3320/4885CA12 2857/4885CA1 2939/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback